bis(5-butylsulfanylthiophen-2-yl)iodanium

C16H22IS4+ — CID 154075831

IUPACbis(5-butylsulfanylthiophen-2-yl)iodanium
SMILESCCCCSc1ccc([I+]c2ccc(SCCCC)s2)s1
InChIInChI=1S/C16H22IS4/c1-3-5-11-18-15-9-7-13(20-15)17-14-8-10-16(21-14)19-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/q+1
InChIKeyYGPIZFWAXOAWRJ-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.72
Rot. Bonds10

About bis(5-butylsulfanylthiophen-2-yl)iodanium

bis(5-butylsulfanylthiophen-2-yl)iodanium (PubChem CID 154075831) has the molecular formula C16H22IS4+ and a molecular weight of 469.52 g/mol. Its IUPAC name is bis(5-butylsulfanylthiophen-2-yl)iodanium.

Molecular Properties

Compound Namebis(5-butylsulfanylthiophen-2-yl)iodanium
PubChem CID154075831
Molecular FormulaC16H22IS4+
Molecular Weight469.52 g/mol
Exact Mass468.96
IUPAC Namebis(5-butylsulfanylthiophen-2-yl)iodanium
SMILESCCCCSc1ccc([I+]c2ccc(SCCCC)s2)s1
InChIInChI=1S/C16H22IS4/c1-3-5-11-18-15-9-7-13(20-15)17-14-8-10-16(21-14)19-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/q+1
InChIKeyYGPIZFWAXOAWRJ-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(5-octylsulfanylthiophen-2-yl)thiophene
CID 71361773
2-hexylsulfanyl-5-[5-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 15187094
5-decylsulfanylthiophene-2-carbaldehyde
CID 10469146
tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-tris[5-[5-(5-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]silyloxysilane
CID 102132032
1-(5-tetradecylsulfanylthiophen-2-yl)ethanone
CID 71390469
2-decylsulfanyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5-decylsulfanylthiophen-2-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]thiophene
CID 10440027
trichloro-[5-[5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]silane
CID 59687604
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644
2-bromo-5-(5-bromo-4-butylsulfanylthiophen-2-yl)-3-butylsulfanylthiophene
CID 56641526
6,18-bis(octylsulfanyl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58410675
2-chloro-5-ethylsulfanylthiophene
CID 55269590
4-butylsulfanyl-3-chloroaniline
CID 43305432

Frequently Asked Questions

What is the IUPAC name of bis(5-butylsulfanylthiophen-2-yl)iodanium?
The IUPAC name of bis(5-butylsulfanylthiophen-2-yl)iodanium (CID 154075831) is bis(5-butylsulfanylthiophen-2-yl)iodanium.
What is the SMILES notation for bis(5-butylsulfanylthiophen-2-yl)iodanium?
The canonical SMILES for bis(5-butylsulfanylthiophen-2-yl)iodanium is CCCCSc1ccc([I+]c2ccc(SCCCC)s2)s1.
What is the InChIKey of bis(5-butylsulfanylthiophen-2-yl)iodanium?
The InChIKey is YGPIZFWAXOAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IS4/c1-3-5-11-18-15-9-7-13(20-15)17-14-8-10-16(21-14)19-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/q+1.
What are the key properties of bis(5-butylsulfanylthiophen-2-yl)iodanium?
bis(5-butylsulfanylthiophen-2-yl)iodanium has a molecular weight of 469.52 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-butylsulfanylthiophen-2-yl)iodanium is sourced from PubChem (CID 154075831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).